2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide

C14H18N6O — CID 653916

IUPAC2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H18N6O/c21-14(10-19-7-2-1-3-8-19)16-12-5-4-6-13(9-12)20-11-15-17-18-20/h4-6,9,11H,1-3,7-8,10H2,(H,16,21)
InChIKeyKQUNPSYZUINUOF-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.09
Rot. Bonds4

About 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 653916) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID653916
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H18N6O/c21-14(10-19-7-2-1-3-8-19)16-12-5-4-6-13(9-12)20-11-15-17-18-20/h4-6,9,11H,1-3,7-8,10H2,(H,16,21)
InChIKeyKQUNPSYZUINUOF-UHFFFAOYSA-N
XLogP1.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 653916) is 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide is O=C(CN1CCCCC1)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is KQUNPSYZUINUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(10-19-7-2-1-3-8-19)16-12-5-4-6-13(9-12)20-11-15-17-18-20/h4-6,9,11H,1-3,7-8,10H2,(H,16,21).
What are the key properties of 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 653916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).